SCHEMBL7867939

SCHEMBL7867939

CCN(CC)c1ccc2c(c1)-c1ccc(Nc3ccccc3)cc1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NOX1 Q9Y5S8 1/20 0.43
KDM1A O60341 1/20 0.42
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA2A P08913 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30572809 0.86 KIF11 (0.46) MAPTSMN1; SMN2NPSR1HTTMAPK14
SCHEMBL29068467 0.86 KIF11 (0.46) MAPTSMN1; SMN2NPSR1HTTMAPK14
SCHEMBL7868908 0.84 MAPK14 (0.44) CYP1A2HSD17B10CYP3A4CYP2D6CYP2C9
SCHEMBL27633770 0.84 HPGD (0.42) CYP1A2HSD17B10CYP3A4CYP2D6CYP2C9
SCHEMBL7868915 0.84 CNR2 (0.45) CYP1A2HSD17B10CYP3A4CYP2D6CYP2C9
SCHEMBL7888419 0.82 RPS6KA2 (0.41) CYP1A2HSD17B10CYP3A4CYP2D6CYP2C9
SCHEMBL10405718 0.82 EGFR (0.42) CYP1A2HSD17B10CYP3A4CYP2D6CYP2C9
SCHEMBL30194823 0.81 HSD17B10 (0.57) CYP1A2HSD17B10CYP3A4CYP2D6CYP2C9
SCHEMBL7872791 0.81 MEN1 (0.41) CYP1A2HSD17B10CYP3A4CYP2D6CYP2C9
SCHEMBL9243334 0.80 CYP3A4 (0.47) CYP1A2HSD17B10CYP3A4CYP2D6CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303259-B1 FOR COLOR DUPLICATORS, COLOR PRINTERS, ETC MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2001-10-16 US disclosed